Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccccc1CC(N)CC(=O)N3C(C(=O)N)Cc2c(cccc2)C3 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)Cc3ccccc3F |
SMILES | CACTVS | 3.341 | N[CH](CC(=O)N1Cc2ccccc2C[CH]1C(N)=O)Cc3ccccc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)CC(N(C2)C(=O)CC(Cc3ccccc3F)N)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C20H22FN3O2/c21-17-8-4-3-6-14(17)9-16(22)11-19(25)24-12-15-7-2-1-5-13(15)10-18(24)20(23)26/h1-8,16,18H,9-12,22H2,(H2,23,26)/t16-,18+/m1/s1 |
InChIKey | InChI | 1.03 | OEVYDSSAPNIURZ-AEFFLSMTSA-N |